2-(oxan-2-ylmethoxy)cyclododecan-1-amine

C18H35NO2 — CID 43099703

IUPAC2-(oxan-2-ylmethoxy)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1OCC1CCCCO1
InChIInChI=1S/C18H35NO2/c19-17-12-7-5-3-1-2-4-6-8-13-18(17)21-15-16-11-9-10-14-20-16/h16-18H,1-15,19H2
InChIKeyIBGIVXXNOPEQJM-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.18
Rot. Bonds3

About 2-(oxan-2-ylmethoxy)cyclododecan-1-amine

2-(oxan-2-ylmethoxy)cyclododecan-1-amine (PubChem CID 43099703) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)cyclododecan-1-amine
PubChem CID43099703
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-(oxan-2-ylmethoxy)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1OCC1CCCCO1
InChIInChI=1S/C18H35NO2/c19-17-12-7-5-3-1-2-4-6-8-13-18(17)21-15-16-11-9-10-14-20-16/h16-18H,1-15,19H2
InChIKeyIBGIVXXNOPEQJM-UHFFFAOYSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
CID 114032274
2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
CID 79856841
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
CID 43184028
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
trans-(1S,2S)-2-(cyclopropylmethoxy)cyclopentan-1-amine
CID 28798081
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2-(oxolan-2-ylmethoxy)cyclopentane-1-carboxylic acid
CID 114988084

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)cyclododecan-1-amine?
The IUPAC name of 2-(oxan-2-ylmethoxy)cyclododecan-1-amine (CID 43099703) is 2-(oxan-2-ylmethoxy)cyclododecan-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)cyclododecan-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethoxy)cyclododecan-1-amine is NC1CCCCCCCCCCC1OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)cyclododecan-1-amine?
The InChIKey is IBGIVXXNOPEQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c19-17-12-7-5-3-1-2-4-6-8-13-18(17)21-15-16-11-9-10-14-20-16/h16-18H,1-15,19H2.
What are the key properties of 2-(oxan-2-ylmethoxy)cyclododecan-1-amine?
2-(oxan-2-ylmethoxy)cyclododecan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)cyclododecan-1-amine is sourced from PubChem (CID 43099703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).